Geometry & MOs

Info

ID:

105130

PubChem CID:

50106447

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-217.59

Dipole, Da:

8.04

IP(EA), eV:

 -8.88(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations